Geometry & MOs

Info

ID:	259432
PubChem CID:	103165713
Reduced:	BrOC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	302.00731
ΔH_f, kcal/mol:	-58.29
Dipole, Da:	2.54
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-bromo-2-cyclobutylethyl)-2-chloro-1-methoxybenzene

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(C2=CC=C(C=C2)CC(C)C)Br

DOS

IR

Vibrations